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3-Carboxyphenylboronic acid–theophylline (1/1)
The title two-component molecular crystal [systematic name: 3-(dihydroxyboranyl)benzoic acid–1,3-dimethyl-7H-purine-2,6-dione (1/1)], C(7)H(7)BO(4)·C(7)H(8)N(4)O(2), comprises theophylline and 3-carboxyphenylboronic acid molecules in a 1:1 molar ratio. In the crystal, molecules are self-ass...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414186/ https://www.ncbi.nlm.nih.gov/pubmed/22904793 http://dx.doi.org/10.1107/S1600536812029467 |
| _version_ | 1782240170458742784 |
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| author | Dyulgerov, Ventsi Nikolova, Rositsa P. Dimova, Louiza T. Shivachev, Boris L. |
| author_facet | Dyulgerov, Ventsi Nikolova, Rositsa P. Dimova, Louiza T. Shivachev, Boris L. |
| author_sort | Dyulgerov, Ventsi |
| collection | PubMed |
| description | The title two-component molecular crystal [systematic name: 3-(dihydroxyboranyl)benzoic acid–1,3-dimethyl-7H-purine-2,6-dione (1/1)], C(7)H(7)BO(4)·C(7)H(8)N(4)O(2), comprises theophylline and 3-carboxyphenylboronic acid molecules in a 1:1 molar ratio. In the crystal, molecules are self-assembled by O—H⋯O and N—H⋯N hydrogen bonds, generating layers parallel to (-209). The layers are stacked through π–π [centroid–centroid distance = 3.546 (2) Å] and C—H⋯π interactions. |
| format | Online Article Text |
| id | pubmed-3414186 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-34141862012-08-17 3-Carboxyphenylboronic acid–theophylline (1/1) Dyulgerov, Ventsi Nikolova, Rositsa P. Dimova, Louiza T. Shivachev, Boris L. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title two-component molecular crystal [systematic name: 3-(dihydroxyboranyl)benzoic acid–1,3-dimethyl-7H-purine-2,6-dione (1/1)], C(7)H(7)BO(4)·C(7)H(8)N(4)O(2), comprises theophylline and 3-carboxyphenylboronic acid molecules in a 1:1 molar ratio. In the crystal, molecules are self-assembled by O—H⋯O and N—H⋯N hydrogen bonds, generating layers parallel to (-209). The layers are stacked through π–π [centroid–centroid distance = 3.546 (2) Å] and C—H⋯π interactions. International Union of Crystallography 2012-07-04 /pmc/articles/PMC3414186/ /pubmed/22904793 http://dx.doi.org/10.1107/S1600536812029467 Text en © Dyulgerov et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Dyulgerov, Ventsi Nikolova, Rositsa P. Dimova, Louiza T. Shivachev, Boris L. 3-Carboxyphenylboronic acid–theophylline (1/1) |
| title | 3-Carboxyphenylboronic acid–theophylline (1/1) |
| title_full | 3-Carboxyphenylboronic acid–theophylline (1/1) |
| title_fullStr | 3-Carboxyphenylboronic acid–theophylline (1/1) |
| title_full_unstemmed | 3-Carboxyphenylboronic acid–theophylline (1/1) |
| title_short | 3-Carboxyphenylboronic acid–theophylline (1/1) |
| title_sort | 3-carboxyphenylboronic acid–theophylline (1/1) |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414186/ https://www.ncbi.nlm.nih.gov/pubmed/22904793 http://dx.doi.org/10.1107/S1600536812029467 |
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